CID 688211

(s,s)-2,6-bis(4-isopropyl-2-oxazolin-2-yl)pyridine

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC(C)[C@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@H](CO3)C(C)C
InChI
InChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3/t14-,15-/m1/s1
InChIKey
CSGQGLBCAHGJDR-HUUCEWRRSA-N
Compound name
(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

372
Patents

301.17902 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 173.0
[M+Na]+ 324.16824 179.6
[M-H]- 300.17174 180.3
[M+NH4]+ 319.21284 184.7
[M+K]+ 340.14218 178.7
[M+H-H2O]+ 284.17628 164.1
[M+HCOO]- 346.17722 188.9
[M+CH3COO]- 360.19287 183.7
[M+Na-2H]- 322.15369 170.6
[M]+ 301.17847 174.8
[M]- 301.17957 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe